(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-chloro-3-(1-piperidylsulfonyl)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [4-chloro-3-(1-piperidinylsulfonyl)phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-chloro-3-piperidin-1-ylsulfonylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-chloro-3-piperidinosulfonyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C17H25ClN3O3S+ MolecularWeight: 386.9167

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H24ClN3O3S/c1-19-9-11-20(12-10-19)17(22)14-5-6-15(18)16(13-14)25(23,24)21-7-3-2-4-8-21/h5-6,13H,2-4,7-12H2,1H3/p+1